File size: 3,480 Bytes
d05f89f |
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 |
nAcid ALogP ALogp2 AMR naAromAtom nH nN nO nS nP nF nCl nBr nI nX ATS0m ATS4m ATS2s AATS0m AATS1m AATS4m AATS5m AATS6m AATS7m AATS8m AATS0v AATS3v AATS5v AATS7v AATS0e AATS4e AATS5e AATS6e AATS7e AATS4p AATS0i AATS1i AATS4i AATS5i AATS8i AATS4s AATS5s AATS6s AATS7s AATS8s ATSC2c ATSC3c ATSC4c ATSC5c ATSC6c ATSC7c ATSC8c ATSC1m ATSC2m ATSC3m ATSC4m ATSC5m ATSC6m ATSC7m ATSC8m ATSC1v ATSC2v ATSC3v ATSC4v ATSC5v ATSC6v ATSC7v ATSC8v ATSC1e ATSC2e ATSC3e ATSC4e ATSC5e ATSC6e ATSC7e ATSC8e ATSC1i ATSC2i ATSC3i ATSC4i ATSC5i ATSC6i ATSC7i ATSC8i ATSC1s ATSC3s AATSC1c AATSC4c AATSC5c AATSC6c AATSC7c AATSC8c AATSC2m AATSC3m AATSC4m AATSC5m AATSC6m AATSC7m AATSC8m AATSC0v AATSC4v AATSC5v AATSC6v AATSC7v AATSC8v AATSC3e AATSC4e AATSC5e AATSC6e AATSC7e AATSC8e AATSC1p AATSC2p AATSC3p AATSC4p AATSC3i AATSC4i AATSC5i AATSC6i AATSC7i AATSC8i AATSC1s AATSC2s AATSC3s AATSC4s AATSC6s AATSC8s MATS1c MATS3c MATS3m MATS4m MATS5m MATS6m MATS1e MATS3e MATS1s MATS2s MATS3s MATS4s MATS5s MATS7s GATS1c GATS2c GATS3c GATS4c GATS5c GATS6c GATS7c GATS8c GATS1m GATS2m GATS4m GATS5m GATS6m GATS7m GATS8m GATS2v GATS6v GATS7v GATS8v GATS1e GATS3e GATS4e GATS1p GATS3p GATS4p GATS5p GATS1i GATS2i GATS3i GATS4i GATS2s GATS3s GATS5s GATS6s GATS7s GATS8s SM1_DzZ VE1_DzZ VE3_DzZ VR1_DzZ VE1_Dzv VR2_Dzv VE2_Dze SpMAD_Dzp VE2_Dzp SpMAD_Dzs SM1_Dzs VE1_Dzs VR2_Dzs nBase BCUTw-1l BCUTw-1h BCUTc-1l BCUTc-1h BCUTp-1l BCUTp-1h nBondsD nBondsD2 nBondsT SpMax3_Bhm SpMin1_Bhm SpMin2_Bhm SpMin4_Bhm SpMin7_Bhm SpMax1_Bhv SpMax2_Bhe SpMin8_Bhe SpMax1_Bhs SpMax3_Bhs C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 SCH-3 SCH-4 SCH-5 SCH-7 SC-4 SC-5 VC-3 SP-7 ASP-0 ASP-1 ASP-4 ASP-5 ASP-6 ASP-7 AVP-0 AVP-3 AVP-4 AVP-6 AVP-7 CrippenLogP VE1_Dt VE3_Dt VR1_Dt ECCEN nwHBd nHBint2 nHBint3 nHBint4 nHBint5 nHBint6 nHBint7 nHBint8 nHBint9 nHdNH nHsSH nHsNH2 nHssNH nHaaNH nHtCH nHdCH2 nHdsCH nHCsatu nHAvin nsCH3 nssCH2 nsssCH naaaC ndsN naaN nsssN naasN nssssNp ndO nssO naaO nsOm ndS naaS ndssS nddssS SwHBa SHBint10 SHsOH SsssCH SdssC SaasC SssssC SssS SsBr SsI minHBd minHBa minwHBa minHBint2 minHBint3 minHBint4 minHBint5 minHBint6 minHBint7 minHBint8 minHBint9 minHBint10 minHsOH minHsNH2 minHssNH minHdsCH minHaaCH minHCsats minHCsatu minHother minsCH3 minssCH2 minsssCH minaasC mintN minsssN minsOH mindO minssO minsF maxHBa maxwHBa maxHBint2 maxHBint3 maxHBint4 maxHBint5 maxHBint6 maxHBint7 maxHBint9 maxHBint10 maxHCsats maxssCH2 maxsssCH maxdssC maxssssC maxsI hmax hmin ETA_AlphaP ETA_dAlpha_A ETA_dEpsilon_B ETA_dEpsilon_D ETA_dPsi_B ETA_Shape_Y ETA_BetaP_s ETA_Beta_ns_d ETA_EtaP_B IC0 IC1 IC2 SIC1 SIC3 SIC5 BIC0 MIC5 ZMIC2 ZMIC5 Kier3 nAtomLC nAtomP nAtomLAC MDEC-14 MDEC-22 MDEC-23 MDEC-33 MDEO-11 MDEO-12 MDEN-11 MDEN-12 MDEN-13 MDEN-22 MDEN-23 MDEN-33 MLFER_A MLFER_BH MLFER_S piPC10 R_TpiPCTPC PetitjeanNumber n5Ring n6Ring n7Ring n8Ring n12Ring nG12Ring nFRing nF4Ring nF6Ring nF7Ring nF8Ring nF9Ring nF10Ring nF11Ring nF12Ring nT7Ring nHeteroRing n3HeteroRing n6HeteroRing n8HeteroRing nF6HeteroRing nF10HeteroRing RotBFrac nRotBt LipinskiFailures topoRadius JGI2 JGI3 JGI4 JGI5 JGI6 JGI7 JGI8 JGI9 JGI10 VE1_D VE3_D VR1_D SRW9 TDB1u TDB4u TDB5u TDB9u TDB10u TDB9m TDB10m TDB9v TDB2i TDB9s TDB10s PPSA-3 DPSA-1 FPSA-3 FNSA-3 RPCG RNCG RPCS RNCS THSA LOBMAX MOMI-Y MOMI-XY geomShape RDF20u RDF100u RDF155u RDF10m RDF20m RDF35m RDF40m RDF55m RDF60m RDF65m RDF110m RDF125m RDF130m RDF135m RDF140m RDF30p RDF40s RDF80s RDF115s RDF145s L2u L3u P1u E1u E2u E3u Du E1m E2m E3m Dm E1v E2v E3v Dv |